1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane

C6H6F8O — CID 19063500

IUPAC1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane
SMILESFC(F)C(F)C(F)(F)COCC(F)(F)F
InChIInChI=1S/C6H6F8O/c7-3(4(8)9)5(10,11)1-15-2-6(12,13)14/h3-4H,1-2H2
InChIKeyIJTVIQVGVLMRJI-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.80
Rot. Bonds5

About 1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane

1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane (PubChem CID 19063500) has the molecular formula C6H6F8O and a molecular weight of 246.10 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane
PubChem CID19063500
Molecular FormulaC6H6F8O
Molecular Weight246.10 g/mol
Exact Mass246.03
IUPAC Name1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane
SMILESFC(F)C(F)C(F)(F)COCC(F)(F)F
InChIInChI=1S/C6H6F8O/c7-3(4(8)9)5(10,11)1-15-2-6(12,13)14/h3-4H,1-2H2
InChIKeyIJTVIQVGVLMRJI-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane?
The IUPAC name of 1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane (CID 19063500) is 1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane?
The canonical SMILES for 1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane is FC(F)C(F)C(F)(F)COCC(F)(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane?
The InChIKey is IJTVIQVGVLMRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O/c7-3(4(8)9)5(10,11)1-15-2-6(12,13)14/h3-4H,1-2H2.
What are the key properties of 1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane?
1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane has a molecular weight of 246.10 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-4-(2,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 19063500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).